Info
| ID | 5359 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 3a |
| SMILES | CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C38H32IrN4O4/(1-33)(2-59)(3-40)(4-60)(5-51)(6-38)(7-37)(8-39)(9-46)(10-33)(11-44)(12-52)(13-67)(14-67)(15-42)(16-33)(17-48)(18-61)(19-68)(20-34)(21-54)(22-49)(23-53)(24-41)(25-50)(26-68)(27-34)(28-62)(29-45)(30-43)(31-47)(32-34)(33-67)(34-68)(35-43)(35-56)(36-47)(36-57)(37-40)(37-59)(38-41)(38-51)(39-40)(39-63)(41-43)(42-55)(42-61)(44-50)(44-52)(45-53)(45-65)(46-53)(46-60)(47-50)(48-55)(48-64)(49-58)(49-66)(51-56)(52-57)(54-58)(54-62)(55-69)(56-63)(57-65)(58-70)(59-71)(60-72)(61-73)(62-74)(63-71)(64-66)(64-73)(65-72)(66-74)(67-77)(68-78)(69-75)(69-77)(70-76)(70-78)(71-79)(72-79)(73-79)(74-79)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 9.1 | — | 10.1038/srep38954 | 2016 |
| A549 | 14 | — | 10.1038/srep38954 | 2016 |
| HeLa | 16 | — | 10.1038/srep38954 | 2016 |
| HepG2 | 20 | — | 10.1038/srep38954 | 2016 |
| MCF-7 | 24 | — | 10.1038/srep38954 | 2016 |
Source-assisted 2D generator
Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.
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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.